ethyl 2-(4-ethoxyphenyl)-2,2-dimethoxyacetate

C14H20O5 — CID 19797954

IUPACethyl 2-(4-ethoxyphenyl)-2,2-dimethoxyacetate
SMILESCCOC(=O)C(OC)(OC)c1ccc(OCC)cc1
InChIInChI=1S/C14H20O5/c1-5-18-12-9-7-11(8-10-12)14(16-3,17-4)13(15)19-6-2/h7-10H,5-6H2,1-4H3
InChIKeyPDTOHILKCQMXPR-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.09
Rot. Bonds7

About ethyl 2-(4-ethoxyphenyl)-2,2-dimethoxyacetate

ethyl 2-(4-ethoxyphenyl)-2,2-dimethoxyacetate (PubChem CID 19797954) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is ethyl 2-(4-ethoxyphenyl)-2,2-dimethoxyacetate.

Molecular Properties

Compound Nameethyl 2-(4-ethoxyphenyl)-2,2-dimethoxyacetate
PubChem CID19797954
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Nameethyl 2-(4-ethoxyphenyl)-2,2-dimethoxyacetate
SMILESCCOC(=O)C(OC)(OC)c1ccc(OCC)cc1
InChIInChI=1S/C14H20O5/c1-5-18-12-9-7-11(8-10-12)14(16-3,17-4)13(15)19-6-2/h7-10H,5-6H2,1-4H3
InChIKeyPDTOHILKCQMXPR-UHFFFAOYSA-N
XLogP2.09
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(4-ethoxyphenyl)-2,2-difluoroacetate
CID 62395381
ethyl 3-(4-ethoxyphenyl)-3-hydroxybutanoate
CID 55071355
ethyl 2-(4-ethoxyphenyl)-2-(propylamino)propanoate
CID 60795500
methyl 2-(4-ethoxyphenyl)-3-hydroxy-2-methylpropanoate
CID 21348092
ethyl 2,2-difluoro-2-(4-propoxyphenyl)acetate
CID 55120663
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148
ethyl (3S)-3-amino-3-(4-ethoxyphenyl)-2,2-difluoropropanoate
CID 171246535
methyl 2-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]-2-methylpropanoate
CID 125497316
ethyl 2-amino-2-(4-methoxyphenyl)butanoate
CID 5027941
2-(4-ethoxyphenyl)propan-2-yl acetate
CID 129179659
[3-acetyloxy-2,3-bis(4-ethoxyphenyl)butan-2-yl] acetate
CID 139891574
ethyl (2R)-2,3-dihydroxy-2-(4-methoxyphenyl)propanoate
CID 121000481

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-ethoxyphenyl)-2,2-dimethoxyacetate?
The IUPAC name of ethyl 2-(4-ethoxyphenyl)-2,2-dimethoxyacetate (CID 19797954) is ethyl 2-(4-ethoxyphenyl)-2,2-dimethoxyacetate.
What is the SMILES notation for ethyl 2-(4-ethoxyphenyl)-2,2-dimethoxyacetate?
The canonical SMILES for ethyl 2-(4-ethoxyphenyl)-2,2-dimethoxyacetate is CCOC(=O)C(OC)(OC)c1ccc(OCC)cc1.
What is the InChIKey of ethyl 2-(4-ethoxyphenyl)-2,2-dimethoxyacetate?
The InChIKey is PDTOHILKCQMXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-5-18-12-9-7-11(8-10-12)14(16-3,17-4)13(15)19-6-2/h7-10H,5-6H2,1-4H3.
What are the key properties of ethyl 2-(4-ethoxyphenyl)-2,2-dimethoxyacetate?
ethyl 2-(4-ethoxyphenyl)-2,2-dimethoxyacetate has a molecular weight of 268.31 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-ethoxyphenyl)-2,2-dimethoxyacetate is sourced from PubChem (CID 19797954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).